Geometry & MOs

Info

ID:	178876
PubChem CID:	76394517
Reduced:	FOSN3H22C24 (1)
Stoich.:	ABCD3E22F24 (1)
Weight, g/mol:	352.099397
ΔH_f, kcal/mol:	14.62
Dipole, Da:	6.74
IP(EA), eV:	-8.55(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-4aH-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1)C2=C(C=C(C=C2)C3=CN=C(C=C3)NC(C)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations